2-chloro-N-(1-chloro-3-methoxypropan-2-yl)-4-methylbenzamide

C12H15Cl2NO2 — CID 106183345

IUPAC2-chloro-N-(1-chloro-3-methoxypropan-2-yl)-4-methylbenzamide
SMILESCOCC(CCl)NC(=O)c1ccc(C)cc1Cl
InChIInChI=1S/C12H15Cl2NO2/c1-8-3-4-10(11(14)5-8)12(16)15-9(6-13)7-17-2/h3-5,9H,6-7H2,1-2H3,(H,15,16)
InChIKeyNXYLSRBYTULYEG-UHFFFAOYSA-N
MW276.16 g/mol
LogP2.63
Rot. Bonds5

About 2-chloro-N-(1-chloro-3-methoxypropan-2-yl)-4-methylbenzamide

2-chloro-N-(1-chloro-3-methoxypropan-2-yl)-4-methylbenzamide (PubChem CID 106183345) has the molecular formula C12H15Cl2NO2 and a molecular weight of 276.16 g/mol. Its IUPAC name is 2-chloro-N-(1-chloro-3-methoxypropan-2-yl)-4-methylbenzamide.

Molecular Properties

Compound Name2-chloro-N-(1-chloro-3-methoxypropan-2-yl)-4-methylbenzamide
PubChem CID106183345
Molecular FormulaC12H15Cl2NO2
Molecular Weight276.16 g/mol
Exact Mass275.05
IUPAC Name2-chloro-N-(1-chloro-3-methoxypropan-2-yl)-4-methylbenzamide
SMILESCOCC(CCl)NC(=O)c1ccc(C)cc1Cl
InChIInChI=1S/C12H15Cl2NO2/c1-8-3-4-10(11(14)5-8)12(16)15-9(6-13)7-17-2/h3-5,9H,6-7H2,1-2H3,(H,15,16)
InChIKeyNXYLSRBYTULYEG-UHFFFAOYSA-N
XLogP2.63
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.16
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2-chloro-N-(1-chloro-3-methoxypropan-2-yl)-4-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-chloro-3-methoxypropan-2-yl)-2-hydroxy-4-methylbenzamide
CID 106183449
2,5-dichloro-N-(1-chloro-3-methoxypropan-2-yl)benzamide
CID 106183423
4-bromo-N-(1-chloro-3-methoxypropan-2-yl)-2-methoxybenzamide
CID 114155070
2-chloro-N-(1-chloro-3-methylbutan-2-yl)-4-methylbenzamide
CID 106863924
2,5-dibromo-N-(1-chloro-3-methoxypropan-2-yl)benzamide
CID 106182630
N-(1-chloro-3-methoxypropan-2-yl)-5-fluoro-2-methylbenzamide
CID 106182347
2-chloro-N-(4-chlorobutan-2-yl)-4-methylbenzamide
CID 106863994
2-chloro-N-(1-hydroxypentan-3-yl)-4-methylbenzamide
CID 106509851
N-(1-chloro-3-methoxypropan-2-yl)-3-hydroxy-2-methylbenzamide
CID 106183507
2-chloro-N-(2-chloro-1-phenylethyl)-4-methylbenzamide
CID 106863896
2-fluoro-N-(1-methoxybutan-2-yl)-4-methylbenzamide
CID 79796029
3,5-dichloro-N-(1-chloro-3-methoxypropan-2-yl)benzamide
CID 106183248

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1-chloro-3-methoxypropan-2-yl)-4-methylbenzamide?
The IUPAC name of 2-chloro-N-(1-chloro-3-methoxypropan-2-yl)-4-methylbenzamide (CID 106183345) is 2-chloro-N-(1-chloro-3-methoxypropan-2-yl)-4-methylbenzamide.
What is the SMILES notation for 2-chloro-N-(1-chloro-3-methoxypropan-2-yl)-4-methylbenzamide?
The canonical SMILES for 2-chloro-N-(1-chloro-3-methoxypropan-2-yl)-4-methylbenzamide is COCC(CCl)NC(=O)c1ccc(C)cc1Cl.
What is the InChIKey of 2-chloro-N-(1-chloro-3-methoxypropan-2-yl)-4-methylbenzamide?
The InChIKey is NXYLSRBYTULYEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2NO2/c1-8-3-4-10(11(14)5-8)12(16)15-9(6-13)7-17-2/h3-5,9H,6-7H2,1-2H3,(H,15,16).
What are the key properties of 2-chloro-N-(1-chloro-3-methoxypropan-2-yl)-4-methylbenzamide?
2-chloro-N-(1-chloro-3-methoxypropan-2-yl)-4-methylbenzamide has a molecular weight of 276.16 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1-chloro-3-methoxypropan-2-yl)-4-methylbenzamide is sourced from PubChem (CID 106183345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).